2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride

C21H30Cl3N5O2 — CID 67030184

IUPAC2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride
SMILESCC(=O)N1CCN(c2ccc(CCc3ccc(CC(=O)NN)cc3)cn2)CC1.Cl.Cl.Cl
InChIInChI=1S/C21H27N5O2.3ClH/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(15-23-20)7-4-17-2-5-18(6-3-17)14-21(28)24-22;;;/h2-3,5-6,8-9,15H,4,7,10-14,22H2,1H3,(H,24,28);3*1H
InChIKeyNSDVZDPIAPDZFA-UHFFFAOYSA-N
MW490.86 g/mol
LogP2.33
Rot. Bonds6

About 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride

2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride (PubChem CID 67030184) has the molecular formula C21H30Cl3N5O2 and a molecular weight of 490.86 g/mol. Its IUPAC name is 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride.

Molecular Properties

Compound Name2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride
PubChem CID67030184
Molecular FormulaC21H30Cl3N5O2
Molecular Weight490.86 g/mol
Exact Mass489.15
IUPAC Name2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride
SMILESCC(=O)N1CCN(c2ccc(CCc3ccc(CC(=O)NN)cc3)cn2)CC1.Cl.Cl.Cl
InChIInChI=1S/C21H27N5O2.3ClH/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(15-23-20)7-4-17-2-5-18(6-3-17)14-21(28)24-22;;;/h2-3,5-6,8-9,15H,4,7,10-14,22H2,1H3,(H,24,28);3*1H
InChIKeyNSDVZDPIAPDZFA-UHFFFAOYSA-N
XLogP2.33
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.86
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-[6-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride
CID 67030460
2-[4-[2-[6-(4-acetylpiperazin-1-yl)-2-pyridinyl]ethyl]phenyl]acetohydrazide
CID 44538060
2-[4-[2-[5-(4-acetylpiperazin-1-yl)thiophen-2-yl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67029947
2-[4-[2-(2-piperidin-1-ylpyrimidin-5-yl)ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030490
2-[4-[2-[4-(4-acetylpiperazin-1-yl)-2-(trifluoromethyl)phenyl]ethyl]phenyl]acetohydrazide;dihydrochloride
CID 67030804
1-[4-[5-[(2-methylpropylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanone
CID 80632248
4-[5-(aminomethyl)-2-pyridinyl]piperazine-1-carboxamide
CID 107355690
4-[5-(aminomethyl)-2-pyridinyl]-N-ethylpiperazine-1-carboxamide
CID 107355704
2-[4-[2-(4-pyrrolidin-1-ylphenyl)ethyl]phenyl]acetohydrazide
CID 44539373
1-[4-(5-amino-2-pyridinyl)-1,4-diazepan-1-yl]ethanone
CID 55004594
2-(4-butylphenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]acetamide
CID 30832005
1-(6-piperidin-1-yl-3-pyridinyl)propan-2-one
CID 83888260

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride?
The IUPAC name of 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride (CID 67030184) is 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride.
What is the SMILES notation for 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride?
The canonical SMILES for 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride is CC(=O)N1CCN(c2ccc(CCc3ccc(CC(=O)NN)cc3)cn2)CC1.Cl.Cl.Cl.
What is the InChIKey of 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride?
The InChIKey is NSDVZDPIAPDZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O2.3ClH/c1-16(27)25-10-12-26(13-11-25)20-9-8-19(15-23-20)7-4-17-2-5-18(6-3-17)14-21(28)24-22;;;/h2-3,5-6,8-9,15H,4,7,10-14,22H2,1H3,(H,24,28);3*1H.
What are the key properties of 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride?
2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride has a molecular weight of 490.86 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]ethyl]phenyl]acetohydrazide;trihydrochloride is sourced from PubChem (CID 67030184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).